1-oxaspiro[5.5]undec-3-ene-2,5-dione

C10H12O3 — CID 10888516

IUPAC1-oxaspiro[5.5]undec-3-ene-2,5-dione
SMILESO=C1C=CC(=O)C2(CCCCC2)O1
InChIInChI=1S/C10H12O3/c11-8-4-5-9(12)13-10(8)6-2-1-3-7-10/h4-5H,1-3,6-7H2
InChIKeyNXCYPRJURIKLQP-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.37
Rot. Bonds

About 1-oxaspiro[5.5]undec-3-ene-2,5-dione

1-oxaspiro[5.5]undec-3-ene-2,5-dione (PubChem CID 10888516) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 1-oxaspiro[5.5]undec-3-ene-2,5-dione.

Molecular Properties

Compound Name1-oxaspiro[5.5]undec-3-ene-2,5-dione
PubChem CID10888516
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name1-oxaspiro[5.5]undec-3-ene-2,5-dione
SMILESO=C1C=CC(=O)C2(CCCCC2)O1
InChIInChI=1S/C10H12O3/c11-8-4-5-9(12)13-10(8)6-2-1-3-7-10/h4-5H,1-3,6-7H2
InChIKeyNXCYPRJURIKLQP-UHFFFAOYSA-N
XLogP1.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxy-2-methyl-1-oxaspiro[5.5]undec-3-en-5-one
CID 15190721
(5-Oxo-1-oxaspiro[5.5]undec-3-en-2-yl) acetate
CID 122382413
(1-Hexyl-6-oxocyclohexa-2,4-dien-1-yl) acetate
CID 134994779
[1-[(E)-but-2-enoyl]cyclohexyl] acetate
CID 121009874
2-Methylidene-1-oxaspiro[5.5]undec-3-en-5-one
CID 20695159
5-Acetyl-5-butylfuran-2-one
CID 86150789
(9Z)-1-oxaspiro[5.7]trideca-3,9-diene-2,5-dione
CID 101465606
6-But-3-enyl-6-prop-2-enylpyran-2,5-dione
CID 101465607
1-Oxaspiro[5.5]undeca-3,9-diene-2,5-dione
CID 101465608
1-Oxaspiro[5.6]dodeca-3,9-diene-2,5-dione
CID 101465609
1-Oxaspiro[5.6]dodeca-3,8-diene-2,5-dione
CID 101465610
6-But-3-enyl-6-pent-4-enylpyran-2,5-dione
CID 101465611

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[5.5]undec-3-ene-2,5-dione?
The IUPAC name of 1-oxaspiro[5.5]undec-3-ene-2,5-dione (CID 10888516) is 1-oxaspiro[5.5]undec-3-ene-2,5-dione.
What is the SMILES notation for 1-oxaspiro[5.5]undec-3-ene-2,5-dione?
The canonical SMILES for 1-oxaspiro[5.5]undec-3-ene-2,5-dione is O=C1C=CC(=O)C2(CCCCC2)O1.
What is the InChIKey of 1-oxaspiro[5.5]undec-3-ene-2,5-dione?
The InChIKey is NXCYPRJURIKLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c11-8-4-5-9(12)13-10(8)6-2-1-3-7-10/h4-5H,1-3,6-7H2.
What are the key properties of 1-oxaspiro[5.5]undec-3-ene-2,5-dione?
1-oxaspiro[5.5]undec-3-ene-2,5-dione has a molecular weight of 180.20 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[5.5]undec-3-ene-2,5-dione is sourced from PubChem (CID 10888516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).